REMARK  Name = BDB016940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.367  -1.464   0.261  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -0.314  -2.836   0.402  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        0.873  -3.656   0.385  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1       -1.588  -3.303   0.540  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1       -2.466  -2.330   0.495  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -1.725  -1.171   0.322  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        3.117   0.939  -0.319  0.00  0.00    -0.048 A 
ATOM      8  C   LIG    1        2.770   0.490   0.961  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        1.624  -0.287   1.153  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.813  -0.630   0.067  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        1.157  -0.184  -1.213  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        2.303   0.593  -1.405  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1        5.576   0.899  -0.806  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1        4.359   1.767  -0.529  0.00  0.00    +0.032 C 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   6  15
ATOM     15  C   LIG    1       -2.361   0.141   0.227  0.00  0.00    +0.092 A 
ATOM     16  N   LIG    1       -1.576   1.243   0.306  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1       -2.166   2.453   0.216  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -3.527   2.628   0.074  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -4.324   1.488   0.024  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1       -3.740   0.223   0.081  0.00  0.00    +0.045 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -5.785   1.660  -0.126  0.00  0.00    +0.337 C 
ATOM     22  O   LIG    1       -6.276   2.565  -0.777  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -6.512   0.759   0.566  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1       -6.004   0.180   1.165  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   6  15
TORSDOF 5